| BioID | bio3054 |
|---|
| Name | ETRUMADENANT |
|---|
| ChEMBL ID | CHEMBL4740383 |
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| Molecular Formula | C23H22N8O |
|---|
| Molecular Weight | 426.48 |
|---|
| Molecular Weight (Monoisotopic) | 426.1917 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | AB-928|AB928|ETRUMADENANT |
|---|
| Smiles | Cc1c(C#N)cccc1-c1cc(-c2cn(Cc3cccc(C(C)(C)O)n3)nn2)nc(N)n1 |
|---|
| Inchi | InChI=1S/C23H22N8O/c1-14-15(11-24)6-4-8-17(14)18-10-19(28-22(25)27-18)20-13-31(30-29-20)12-16-7-5-9-21(26-16)23(2,3)32/h4-10,13,32H,12H2,1-3H3,(H2,25,27,28) |
|---|
| Inchi Key | BUXIAWLTBSXYSW-UHFFFAOYSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 3.0 |
|---|
| Bioactivities | 7.0 |
|---|
| Np Likeness Score | -1.26 |
|---|
| Records Key | ['ETRUMADENANT', '12; AB928', 'AB928', 'ETRUMADENANT'] |
|---|
| Records Name | ['ETRUMADENANT', '3-(2-amino-6-(1-((6-(2-hydroxypropan-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)pyrimidin-4-yl)-2-methylbenzonitrile', '3-(2-amino-6-(1-((6-(2-hydroxypropan-2-yl)pyridin-2-yl)methyl)-1H-1,2,3-triazol-4-yl)pyrimidin-4-yl)-2-methylbenzonitrile', 'ETRUMADENANT'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
